Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(4-Fluorophenoxy) acetic acid ethyl ester |
EINECS | N/A |
CAS No. | 777-87-7 | Density | 1.161 g/cm3 |
PSA | 35.53000 | LogP | 1.76760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11FO3 | Boiling Point | 262.3 °C at 760 mmHg |
Molecular Weight | 198.194 | Flash Point | 109.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Fluoro ethylphenoxyacetate; |
Article Data | 33 |
The (4-Fluorophenoxy) acetic acid ethyl ester, with the CAS registry number of 777-87-7, is also known as 4-Fluoro ethylphenoxyacetate. This chemical's molecular formula is C10H11FO3 and molecular weight is 198.19. What's more, its IUPAC name is Ethyl 2-(4-fluorophenoxy)acetate.
Physical properties about (4-Fluorophenoxy) acetic acid ethyl ester are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.91; (6)ACD/BCF (pH 7.4): 21.91; (7)ACD/KOC (pH 5.5): 317.17; (8)ACD/KOC (pH 7.4): 317.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 48.59 cm3; (15)Molar Volume: 170.6 cm3; (16)Polarizability: 19.26×10-24 cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 109.1 °C; (20)Enthalpy of Vaporization: 50 kJ/mol; (21)Boiling Point: 262.3 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(OCC(=O)OCC)cc1
(2) InChI: InChI=1/C10H11FO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
(3) InChIKey: JZLDBMSPNHYJEW-UHFFFAOYAC